![6-(4-bromophenyl)-8-(4-nitrophenyl)-3,4a,7a,8-tetrahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazole-2,5,7(6H)-trione structure](/static/products/100/1005159-64-7.png)
6-(4-bromophenyl)-8-(4-nitrophenyl)-3,4a,7a,8-tetrahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazole-2,5,7(6H)-trione
TL;DR: 6-(4-bromophenyl)-8-(4-nitrophenyl)-3,4a,7a,8-tetrahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazole-2,5,7(6H)-trione (CAS 1005159-64-7) is a chemical compound with molecular formula C20H12BrN3O5S2 and molecular weight 516.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-(4-bromophenyl)-8-(4-nitrophenyl)-2,6-dithia-4,11-diazatricyclo[7.3.0.03,7]dodec-3(7)-ene-5,10,12-trione
Also Known As: 6-(4-bromophenyl)-8-(4-nitrophenyl)-3,4a,7a,8-tetrahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazole-2,5,7(6H)-trione, 5-(4-bromophenyl)-8-(4-nitrophenyl)-2,10-dithia-5,12-diazatricyclo[7.3.0.0<3,7 >]dodec-1(9)-ene-4,6,11-trione, 6-(4-bromophenyl)-8-(4-nitrophenyl)-7a,8-dihydropyrrolo[3',4':5,6]thiopyrano[2,3-d]thiazole-2,5,7(3H,4aH,6H)-trione
| Molecular Formula | C20H12BrN3O5S2 |
|---|---|
| Molecular Weight | 516.94 g/mol |
| LogP | 3.9029 |
| Topological Polar Surface Area | 113.38 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 516.9402 |
| Heavy Atoms | 31 |
| Complexity | 1285.3942 |
Chemical Identifiers
| CAS Number | 1005159-64-7 |
|---|---|
| SMILES | C1=CC(=CC=C1C2C3C(C(=O)N(C3=O)C4=CC=C(C=C4)Br)SC5=C2SC(=O)N5)[N+](=O)[O-] |
Product Overview
6-(4-bromophenyl)-8-(4-nitrophenyl)-3,4a,7a,8-tetrahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazole-2,5,7(6H)-trione (CAS 1005159-64-7), with molecular formula C20H12BrN3O5S2 and molecular weight 516.94 g/mol. IUPAC: 11-(4-bromophenyl)-8-(4-nitrophenyl)-2,6-dithia-4,11-diazatricyclo[7.3.0.03,7]dodec-3(7)-ene-5,10,12-trione.
Chemical Property Profile of 6-(4-bromophenyl)-8-(4-nitrophenyl)-3,4a,7a,8-tetrahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazole-2,5,7(6H)-trione
Property Insights of 6-(4-bromophenyl)-8-(4-nitrophenyl)-3,4a,7a,8-tetrahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazole-2,5,7(6H)-trione
The XLogP value of 3.9029 indicates that 6-(4-bromophenyl)-8-(4-nitrophenyl)-3,4a,7a,8-tetrahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazole-2,5,7(6H)-trione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.38 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(4-bromophenyl)-8-(4-nitrophenyl)-3,4a,7a,8-tetrahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazole-2,5,7(6H)-trione. Following Lipinski's Rule of Five, 6-(4-bromophenyl)-8-(4-nitrophenyl)-3,4a,7a,8-tetrahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazole-2,5,7(6H)-trione has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6-(4-bromophenyl)-8-(4-nitrophenyl)-3,4a,7a,8-tetrahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazole-2,5,7(6H)-trione?
The CAS number of 6-(4-bromophenyl)-8-(4-nitrophenyl)-3,4a,7a,8-tetrahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazole-2,5,7(6H)-trione is 1005159-64-7.
What is the molecular formula of 6-(4-bromophenyl)-8-(4-nitrophenyl)-3,4a,7a,8-tetrahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazole-2,5,7(6H)-trione?
The molecular formula of 6-(4-bromophenyl)-8-(4-nitrophenyl)-3,4a,7a,8-tetrahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazole-2,5,7(6H)-trione is C20H12BrN3O5S2.
What is the molecular weight of 6-(4-bromophenyl)-8-(4-nitrophenyl)-3,4a,7a,8-tetrahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazole-2,5,7(6H)-trione?
The molecular weight of 6-(4-bromophenyl)-8-(4-nitrophenyl)-3,4a,7a,8-tetrahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazole-2,5,7(6H)-trione is 516.94 g/mol.
Where can I buy 6-(4-bromophenyl)-8-(4-nitrophenyl)-3,4a,7a,8-tetrahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazole-2,5,7(6H)-trione?
You can request a quote for 6-(4-bromophenyl)-8-(4-nitrophenyl)-3,4a,7a,8-tetrahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazole-2,5,7(6H)-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(4-bromophenyl)-8-(4-nitrophenyl)-3,4a,7a,8-tetrahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazole-2,5,7(6H)-trione?
Yes, KEHONG BIO provides custom synthesis services for 6-(4-bromophenyl)-8-(4-nitrophenyl)-3,4a,7a,8-tetrahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazole-2,5,7(6H)-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.